Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ILK | Q13418 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28247185 | 0.86 | DYRK1A (0.60) | NPC1RAB9ASMN1; SMN2DYRK1ALCK | |
| SCHEMBL23480711 | 0.83 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL9306708 | 0.81 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2DYRK1ALCK | |
| SCHEMBL1748371 | 0.81 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL24052275 | 0.81 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2DYRK1AALDH1A1 | |
| SCHEMBL30874473 | 0.78 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL8535606 | 0.75 | MAPT (0.68) | NPC1RAB9ASMN1; SMN2HDAC6KDM4E | |
| SCHEMBL10760019 | 0.74 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL28090972 | 0.74 | CA2 (0.56) | NPC1RAB9ASMN1; SMN2DYRK1AKDM4E | |
| SCHEMBL7541643 | 0.73 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108602812-A | It can be used as the bicycle hydroxamic acid compound of the inhibitor of mammal histone deacetylase activity | 坎塞拉有限公司 | 2018-09-28 | — | — | CN | claimed |
| EP-3394052-A1 | BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY | Kancera AB (SE) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017108282-A1 | BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY | KANCERA AB (SE) | 2017-06-29 | — | — | WO | disclosed |